[phenixbb] real-space refinement hydrogens
pafonine at lbl.gov
Mon Jun 29 18:28:07 PDT 2020
> When refining a crystal structure in phenix.refine, presence of
> explicit hydrogens usually decreases the number of clashes.
that's a desirable outcome. But that depends on many factors and varies
case by case.
> In the real-space refinement of a model against a cryo-EM map,
> however, explicit hydrogens did not improve the clashscore. Is this
May be this is a case where they don't. And they may do in some other case.
> Does it depend on resolution?
Generally, yes. At higher resolution the map should have more impact.
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